(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol

C9H7FOS2 — CID 130944049

IUPAC(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol
SMILESOCc1ccc2cc(F)sc2c1S
InChIInChI=1S/C9H7FOS2/c10-7-3-5-1-2-6(4-11)8(12)9(5)13-7/h1-3,11-12H,4H2
InChIKeySNDWFGFMXWXZJX-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.82
Rot. Bonds1

About (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol

(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol (PubChem CID 130944049) has the molecular formula C9H7FOS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol
PubChem CID130944049
Molecular FormulaC9H7FOS2
Molecular Weight214.29 g/mol
Exact Mass213.99
IUPAC Name(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol
SMILESOCc1ccc2cc(F)sc2c1S
InChIInChI=1S/C9H7FOS2/c10-7-3-5-1-2-6(4-11)8(12)9(5)13-7/h1-3,11-12H,4H2
InChIKeySNDWFGFMXWXZJX-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-nitro-1-benzothiophene-7-thiol
CID 131150658
6-ethyl-2-fluoro-7-methyl-1-benzothiophene
CID 130985732
2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile
CID 130792255
(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
CID 131097075
7-bromo-2-fluoro-1-benzothiophen-6-ol
CID 130854965
(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
CID 130944032
5-(hydroxymethyl)-6-sulfanyl-1-benzothiophen-7-ol
CID 131000512
(7-amino-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130788720
(2-amino-7-iodo-1-benzothiophen-6-yl)methanol
CID 131034404
(4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol
CID 130870905
6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol
CID 130898870
4-ethyl-2-fluoro-1-benzothiophene-7-thiol
CID 131195859

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol (CID 130944049) is (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol is OCc1ccc2cc(F)sc2c1S.
What is the InChIKey of (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol?
The InChIKey is SNDWFGFMXWXZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS2/c10-7-3-5-1-2-6(4-11)8(12)9(5)13-7/h1-3,11-12H,4H2.
What are the key properties of (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol?
(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol has a molecular weight of 214.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130944049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).